Retinyl propionate

C₂₃H₃₄O₂ — CID 6394572

About Retinyl propionate

Retinyl propionate (PubChem CID 6394572) has the molecular formula C₂₃H₃₄O₂ and a molecular weight of 342.52 g/mol. Its IUPAC name is [(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] propanoate.

Molecular Properties

• Compound Name: Retinyl propionate
• PubChem CID: 6394572
• Molecular Formula: C₂₃H₃₄O₂
• Molecular Weight: 342.52 g/mol
• Exact Mass: 342.26
• IUPAC Name: [(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] propanoate
• SMILES: CCC(=O)OC/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C
• InChI: InChI=1S/C23H34O2/c1-7-22(24)25-17-15-19(3)11-8-10-18(2)13-14-21-20(4)12-9-16-23(21,5)6/h8,10-11,13-15H,7,9,12,16-17H2,1-6H3/b11-8+,14-13+,18-10+,19-15+
• InChIKey: SFRPDSKECHTFQA-ONOWFSFQSA-N
• XLogP: 6.47
• TPSA: 26.30 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	342.52
LogP ≤ 5	6.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Retinyl propionate?

The IUPAC name of Retinyl propionate (CID 6394572) is [(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] propanoate.

What is the SMILES notation for Retinyl propionate?

The canonical SMILES for Retinyl propionate is CCC(=O)OC/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C.

What is the InChIKey of Retinyl propionate?

The InChIKey is SFRPDSKECHTFQA-ONOWFSFQSA-N. The full InChI is InChI=1S/C23H34O2/c1-7-22(24)25-17-15-19(3)11-8-10-18(2)13-14-21-20(4)12-9-16-23(21,5)6/h8,10-11,13-15H,7,9,12,16-17H2,1-6H3/b11-8+,14-13+,18-10+,19-15+.

What are the key properties of Retinyl propionate?

Retinyl propionate has a molecular weight of 342.52 g/mol, XLogP of 6.47, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Retinyl propionate is sourced from PubChem (CID 6394572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 6394572 — identifiers, structure, computed properties (public domain)

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